[gmx-users] [Beginner] How can I generate .gro and .top?

[David van der Spoel]

Marcelo de Freitas Lima wrote:
> Dear all,
> 
> How can I generate a ".gro" and a ".top" from a ".pdb" file of a 
> synthetic polymer residue (548 atoms with a random distribution of 
> monomers)?
> There is some tutorial to use gromacs with strutures like that, instead 
> proteins?
> Problem:
> The PRODRG webserver can't convert my structure, because there is so 
> many atoms.
> 
> Thank you all,
> 
You may want to try x2top, but it will only work for simple molecules.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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